{"resolution": "1.2", "ligand_mw": "308.12", "secondary_structure": "GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCCCCEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEESTTSCCEEEEEEEEETTEEEEEEEEECCCC&GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE#CCCCCCCCCCCEEEEEEETTTTEECTTCEEEEEEECTTSCEEEEEEEECCTTSEECCSCCTTTCCSEEEEEEECHHHHHHHTTCCCSEEEEEEEEEECTTSCSEEEEEEEEETTEEEEEEEEECCCC", "inchi": "InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19)", "method": "X-RAY DIFFRACTION", "ec_number": "", "uniprot_ac": "P02766", "remarks": "The Structure of V122I Mutant Transthyretin in Complex with Tafamidis", "description": "They report the development of AG10, a potent and selective kinetic stabilizer of TTR. AG10 prevents dissociation of V122I-TTR in serum samples obtained from patients with familial amyloid cardiomyopathy. In contrast to other TTR stabilizers currently in clinical trials, AG10 stabilizes V122I- and WT-TTR equally well and also exceeds their efficacy to stabilize WT and mutant TTR in whole serum.", "type": "Inhibitor complex", "ligand_smiles": "c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl", "chain_id": "A", "species": "Homo sapiens", "keyword": "Transthyretin", "ligstr": "3MI:A:C14 H7 Cl2 N O3:308.12:2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid:c1cc2c(cc1C(=O)O)oc(n2)c3cc(cc(c3)Cl)Cl:InChI=1S/C14H7Cl2NO3/c15-9-3-8(4-10(16)6-9)13-17-11-2-1-7(14(18)19)5-12(11)20-13/h1-6H,(H,18,19):TXEIIPDJKFWEEC-UHFFFAOYSA-N", "pmid": "23716704", "mutation_s_field": "V122I", "author": "Penchala, S.C., Connelly, S., Wang, Y., Park, M.S., Zhao, L., Baranczak, A., Rappley, I., Vogel, H., Liedtke, M., Witteles, R.M., Powers, E.T., Reixach, N., Chan, W.K., Wilson, I.A., Kelly, J.W., Graef, I.A., Alhamadsheh, M.M.", "pdb_id": "4HIS", "amyloid_non_amyloid": "Non-amyloid", "inchi_key": "TXEIIPDJKFWEEC-UHFFFAOYSA-N", "ligand_name": "2-(3,5-dichlorophenyl)-1,3-benzoxazole-6-carboxylic acid", "ligand_formula": "C14 H7 Cl2 N O3", "ligand_id": "3MI", "r_value_free": "0.172", "protein_name": "Transthyretin", "gene_names": "TTR, PALB", "global_stoichiometry": "Homo 4-mer - A4 ", "alternative_name": "ATTR, Prealbumin, TBPA", "peptide_protein_sequence": "chain-ID A: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE; chain-ID B: GPTGTGESKCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTTEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVITNPKE", "pdb_classification": "HORMONE BINDING PROTEIN/INHIBITOR", "reference": "Proc Natl Acad Sci U S A. 2013 Jun 11;110(24):9992-7.", "length": "127", "entry": "S-0322"}